(NZ)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
Formula:C10H7NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine |
| MolecularFormula | C10H7NO2Cl2 |
| Smiles | C#CCOc(c(Cl)cc(/C=N\O)c1)c1Cl |
| InChI | InChI=1S/C10H7Cl2NO2/c1-2-3-15-10-8(11)4-7(6-13-14)5-9(10)12/h1,4-6,14H,3H2 |
| InChIK | PXWRQHWSZOBVSM-UHFFFAOYSA-N |
| TotalMolweight | 244.077 |
| Molweight | 244.077 |
| MonoisotopicMass | 242.985383 |
| CLogP | 3.3835 |
| CLogS | -4.429 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 182.78 |
| Relative PSA | 0.18935 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -1.0191 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (NZ)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine | 2 - (NZ)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
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